SCHEMBL16769795

SCHEMBL16769795

CC(C)n1cnc2c(=S)[nH]c(N)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.54
CDK1 P06493 7/20 0.54
CCNE1 P24864 5/20 0.54
CCNB1 P14635 4/20 0.54
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CCNA2 P20248 4/20 0.40
CCNA1 P78396 4/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
MAPK3 P27361 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22381492 0.89 CDK1 (0.42) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL27374373 0.85 ADORA2A (0.52) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL18458052 0.85 ADORA2A (0.52) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL27375754 0.85 CDK1 (0.39) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL27375698 0.84 ADORA2A (0.39) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL27374918 0.84 CDK1 (0.40) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL18510386 0.83 CDK2 (0.47) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL27374408 0.81 HPRT1 (0.40) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL2385929 0.81 HPRT1 (0.55) CDK2CDK1CCNE1CCNB1MEN1
SCHEMBL27374338 0.79 HPRT1 (0.39) CDK2CDK1CCNE1CCNB1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015941-A2 DINUCLEOTIDES AND THEIR USE IN TREATING CANCER MAIA BIOTECHNOLOGY, INC. (US) 2024-01-18 WO disclosed
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 US disclosed
WO-2020205323-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2020-10-08 WO disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 US disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 US disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 US disclosed
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2019-10-31 US disclosed
US-10030044-B2 Nucleotides for the treatment of liver cancer IDENIX PHARMACEUTICALS LLC (US) 2018-07-24 US disclosed
WO-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
WO-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER IDENIX PHARMACEUTICALS LLC (US) 2017-02-02 US disclosed
WO-2015081133-A2 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER IDENIX PHARMACEUTICALS, INC. (US) 2015-06-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER RNMT, NUDT1, NTPCR CDK2 1588/4885CDK1 931/4885CCNE1 655/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 CDK2 3890/4885CDK1 1642/4885CCNE1 2421/4885
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS CDK2 2984/4885CDK1 2009/4885CCNE1 3905/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 CDK2 3890/4885CDK1 1642/4885CCNE1 2421/4885
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 CDK2 3673/4885CDK1 1595/4885CCNE1 2355/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 CDK2 4537/4885CDK1 4386/4885CCNE1 4767/4885
US-10030044-B2 Nucleotides for the treatment of liver cancer RNMT, NUDT1, NTPCR CDK2 1588/4885CDK1 931/4885CCNE1 655/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS CDK2 2378/4885CDK1 1503/4885CCNE1 3151/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.